HuagongsheHuagongshe Chemie-Druckbericht · Nur für Forschungszwecke
N-Phenylglycin
N-PHENYLGLYCINE · PHENYL GLYCINE · N-PGC · PH-GLY-OH · DL-Phg-OH · N-Ph-Gly-OH · AKOS B003332 · N-Phenylgcine
Identifikatoren & physikalische Daten
| CAS No. | 103-01-5 |
|---|---|
| Summenformel | C8H9NO2 |
| Durchschnittliche Molmasse | 151,16 g/mol |
| Monoisotopische Masse | 151,06332853 g/mol |
| SMILES | O=C(O)CNc1ccccc1 |
| InChIKey | NPKSPKHJBVJUKB-UHFFFAOYSA-N |
| PubChem CID | 66025 |
| ChEMBL | CHEMBL3306206 |
| ChEBI | CHEBI:55477 |
| EC No. | 203-070-2 |
| DTXSID | DTXSID2047016 |
| Lokaler Name | N-Phenylglycin |
Chemische & physikalische Eigenschaften
| XLogP | 0,6 |
|---|---|
| Polarare Oberfläche (TPSA) | 49,3 |
| H-Brücken-Donoren | 2 |
| H-Brücken-Akzeptoren | 3 |
| Frei drehbare Bindungen | 3 |
| Schwere Atome | 11 |
| Formalladung | 0 |
| Komplexität | 130 |
| LogP (Verteilungskoeffizient) | 0.62 |
| Collision Cross Section | 134.6 Ų [M-H]- [CCS Type: DTBuffer gas: N2Ionization: ESI-Dataset: TOXCASTSource Identifier: DTXSID0027806] |
| Schmelzpunkt | 121-123 °C (lit.) |
| Siedepunkt | 273.17°C (rough estimate) |
| Dichte | 1.2023 (rough estimate) |
| Brechungsindex | 1.5810 (estimate) |
| Lagerbedingungen | Store at RT. |
| Löslichkeit | DMSO (Sparingly), Methanol (Slightly)moderately soluble |
| Aggregatzustand | Fine Powder |
| pKa (Säurekonstante) | 1.83, 4.39(at 25℃) |
| Farbe | Ochre to yellow-brown |
| Merck | 14,7292 |
| BRN | 509838 |
| Hauptanwendungen | peptide synthesis |
| InChI | 1S/C8H9NO2/c10-8(11)6-9-7-4-2-1-3-5-7/h1-5,9H,6H2,(H,10,11) |
| InChIKey | NPKSPKHJBVJUKB-UHFFFAOYSA-N |
| SMILES | OC(=O)CNc1ccccc1 |
| CAS Datenbank | 103-01-5(CAS DataBase Reference) |
| NIST chemische Informationen | N-Phenylglycine(103-01-5) |
| EPA chemische Informationen | Glycine, N-phenyl- (103-01-5) |
Sicherheit & Vorschriften
| GHS-Einstufung | This chemical does not meet GHS hazard criteria for 33.3% (1 of 3) of reports.WarningH302 (33.3%): Harmful if swallowed [Warning Acute toxicity, oral]P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 3 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies. |
|---|---|
| Hazard Classes and Categories | Acute Tox. 4 (33.3%) |
| Wassergefährdungsklasse (WGK) | 3 |
| TSCA-Inventar-Status | TSCA listed |
| Zollcode | 29224995 |
| R-Sätze (R) | 36/37/38 |
| Sicherheitshinweise (S) | 22-24/25-44-35-28-7-4 |
| Gefahrenklasse | IRRITANT |
| Lagerklasse | 11 - Combustible Solids |
Anwendungen & Verwendung
Verwenden
N-Phenylglycine is a derivative of Glycine (G615990). N-Phenylglycine is also sometimes coupled with Glycidyl methacrylate to create a surface active comonomer that promotes adhesive bonding of materials to hard tooth tissues.